SCHEMBL8071276

SCHEMBL8071276

BrCCCCCCCc1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
IDO1 P14902 2/20 0.42
GPR52 Q9Y2T5 1/20 0.41
TSHR P16473 2/20 0.40
GLS O94925 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
CYP2A13 Q16696 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PYCR1 P32322 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8072825 1.00 TAAR1 (0.54) TAAR1IDO1GPR52TSHRGLS
SCHEMBL7563278 1.00 TAAR1 (0.54) TAAR1IDO1GPR52TSHRGLS
SCHEMBL8076359 1.00 TAAR1 (0.54) TAAR1IDO1GPR52TSHRGLS
SCHEMBL8070957 1.00 TAAR1 (0.54) TAAR1IDO1GPR52TSHRGLS
SCHEMBL8062223 1.00 TAAR1 (0.54) TAAR1IDO1GPR52TSHRGLS
SCHEMBL29982354 0.98 TAAR1 (0.56) TAAR1IDO1GPR52TSHRGLS
SCHEMBL8071390 0.98 TAAR1 (0.56) TAAR1IDO1GPR52TSHRGLS
SCHEMBL29653394 0.91 TAAR1 (0.58) TAAR1IDO1GPR52TSHRGLS
SCHEMBL216838 0.91 TAAR1 (0.58) TAAR1IDO1GPR52TSHRGLS
SCHEMBL9860715 0.86 LIPG (0.42) TAAR1LIPGSIRT2TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed